AG79802
57148-23-9 | 2-Ethoxy-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG79802
ChemicalName
2-Ethoxy-5-nitrobenzoic acid
CasNumber
57148-23-9
MolecularFormula
C9H9NO5
MolecularWeight
211.1715
MdlNumber
MFCD05625816
Smiles
CCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AG79802
ChemicalName: 2-Ethoxy-5-nitrobenzoic acid
CasNumber: 57148-23-9
MolecularFormula: C9H9NO5
MolecularWeight: 211.1715
MdlNumber: MFCD05625816
Smiles: CCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AG79802
ChemicalName:
2-Ethoxy-5-nitrobenzoic acid
CasNumber:
57148-23-9
MolecularFormula:
C9H9NO5
MolecularWeight:
211.1715
MdlNumber:
MFCD05625816
Smiles:
CCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AG79803
ChemicalName: Ethyl 4-bromo-1,5-dimethylpyrazole-3-carboxylate
CasNumber: 5775-90-6
MolecularFormula: C8H11BrN2O2
MolecularWeight: 247.08914
MdlNumber: MFCD00207970
Smiles: CCOC(=O)c1nn(c(c1Br)C)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AG79803
ChemicalName:
Ethyl 4-bromo-1,5-dimethylpyrazole-3-carboxylate
CasNumber:
5775-90-6
MolecularFormula:
C8H11BrN2O2
MolecularWeight:
247.08914
MdlNumber:
MFCD00207970
Smiles:
CCOC(=O)c1nn(c(c1Br)C)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AG79804
ChemicalName: N,3-Dimethylthiophene-2-carboxamide
CasNumber: 56776-68-2
MolecularFormula: C7H9NOS
MolecularWeight: 155.2175
MdlNumber: MFCD11726152
Smiles: CNC(=O)c1sccc1C
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AG79804
ChemicalName:
N,3-Dimethylthiophene-2-carboxamide
CasNumber:
56776-68-2
MolecularFormula:
C7H9NOS
MolecularWeight:
155.2175
MdlNumber:
MFCD11726152
Smiles:
CNC(=O)c1sccc1C
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AG79806
ChemicalName: 4-Fluoro-2-methyl-5-nitrobenzoic acid
CasNumber: 64695-92-7
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD11847453
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(cc1F)C
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AG79806
ChemicalName:
4-Fluoro-2-methyl-5-nitrobenzoic acid
CasNumber:
64695-92-7
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD11847453
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(cc1F)C
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7